REMARK  Name = BDB037034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.085  -0.440  -0.713  0.00  0.00    -0.192 N 
ATOM      2  C   LIG    1        0.346   0.751  -0.202  0.00  0.00    +0.257 C 
ATOM      3  O   LIG    1       -0.304   1.740   0.076  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.777   0.619   0.051  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.110  -0.701  -0.180  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        3.393  -1.176   0.008  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.357  -0.256   0.432  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.017   1.093   0.667  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.706   1.545   0.481  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.885  -1.395  -0.573  0.00  0.00    +0.257 C 
ATOM     11  O   LIG    1        0.805  -2.605  -0.644  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.183   1.774   1.008  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.421   0.984   0.457  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.205   1.038  -0.896  0.00  0.00    -0.252 N 
ATOM     15  H   LIG    1       -3.644   1.818  -1.367  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.216   0.400  -1.613  0.00  0.00    +0.276 C 
ATOM     17  O   LIG    1       -1.918   0.803  -2.738  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -1.485  -0.775  -0.911  0.00  0.00    +0.263 C 
ATOM     19  F   LIG    1       -1.535  -1.855  -1.757  0.00  0.00    -0.210 F 
ATOM     20  C   LIG    1       -2.220  -1.212   0.356  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -2.636  -0.047   1.233  0.00  0.00    +0.101 C 
ENDBRANCH   1  18
TORSDOF 1